N-[(3-fluoro-4-methoxyphenyl)methyl]-2-thiophen-3-ylethanamine

C14H16FNOS — CID 60976262

IUPACN-[(3-fluoro-4-methoxyphenyl)methyl]-2-thiophen-3-ylethanamine
SMILESCOc1ccc(CNCCc2ccsc2)cc1F
InChIInChI=1S/C14H16FNOS/c1-17-14-3-2-12(8-13(14)15)9-16-6-4-11-5-7-18-10-11/h2-3,5,7-8,10,16H,4,6,9H2,1H3
InChIKeyBKVQPDRPCNUQNO-UHFFFAOYSA-N
MW265.35 g/mol
LogP3.23
Rot. Bonds6

About N-[(3-fluoro-4-methoxyphenyl)methyl]-2-thiophen-3-ylethanamine

N-[(3-fluoro-4-methoxyphenyl)methyl]-2-thiophen-3-ylethanamine (PubChem CID 60976262) has the molecular formula C14H16FNOS and a molecular weight of 265.35 g/mol. Its IUPAC name is N-[(3-fluoro-4-methoxyphenyl)methyl]-2-thiophen-3-ylethanamine.

Molecular Properties

Compound NameN-[(3-fluoro-4-methoxyphenyl)methyl]-2-thiophen-3-ylethanamine
PubChem CID60976262
Molecular FormulaC14H16FNOS
Molecular Weight265.35 g/mol
Exact Mass265.09
IUPAC NameN-[(3-fluoro-4-methoxyphenyl)methyl]-2-thiophen-3-ylethanamine
SMILESCOc1ccc(CNCCc2ccsc2)cc1F
InChIInChI=1S/C14H16FNOS/c1-17-14-3-2-12(8-13(14)15)9-16-6-4-11-5-7-18-10-11/h2-3,5,7-8,10,16H,4,6,9H2,1H3
InChIKeyBKVQPDRPCNUQNO-UHFFFAOYSA-N
XLogP3.23
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[3-fluoro-4-(2-thiophen-3-ylethoxy)phenyl]methyl]-2-methoxyethanamine
CID 107689146
N-[(3-fluoro-4-methoxyphenyl)methyl]-N'-(2-methylpropyl)ethane-1,2-diamine
CID 113405486
N-[(2,5-dimethoxyphenyl)methyl]-2-thiophen-3-ylethanamine
CID 60752889
N-[(3,5-dimethoxyphenyl)methyl]-2-thiophen-3-ylethanamine
CID 60752325
N'-[2-(3-fluoro-4-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 115195380
N-[2-(4-ethyl-2-methoxyphenoxy)ethyl]-2-thiophen-3-ylethanamine
CID 107668711
2-[2-(3-fluoro-4-methoxyphenyl)ethylamino]ethanol
CID 94681852
methyl 4-[(2-thiophen-3-ylethylamino)methyl]benzoate
CID 60976725
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-methylsulfinylethanamine
CID 115632650
1-[3-(difluoromethoxy)-4-methoxyphenyl]-N-(thiophen-3-ylmethyl)methanamine
CID 60760352
1-(3-fluoro-4-methoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)methanamine
CID 61221723
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 114183468

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-methoxyphenyl)methyl]-2-thiophen-3-ylethanamine?
The IUPAC name of N-[(3-fluoro-4-methoxyphenyl)methyl]-2-thiophen-3-ylethanamine (CID 60976262) is N-[(3-fluoro-4-methoxyphenyl)methyl]-2-thiophen-3-ylethanamine.
What is the SMILES notation for N-[(3-fluoro-4-methoxyphenyl)methyl]-2-thiophen-3-ylethanamine?
The canonical SMILES for N-[(3-fluoro-4-methoxyphenyl)methyl]-2-thiophen-3-ylethanamine is COc1ccc(CNCCc2ccsc2)cc1F.
What is the InChIKey of N-[(3-fluoro-4-methoxyphenyl)methyl]-2-thiophen-3-ylethanamine?
The InChIKey is BKVQPDRPCNUQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNOS/c1-17-14-3-2-12(8-13(14)15)9-16-6-4-11-5-7-18-10-11/h2-3,5,7-8,10,16H,4,6,9H2,1H3.
What are the key properties of N-[(3-fluoro-4-methoxyphenyl)methyl]-2-thiophen-3-ylethanamine?
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-thiophen-3-ylethanamine has a molecular weight of 265.35 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-methoxyphenyl)methyl]-2-thiophen-3-ylethanamine is sourced from PubChem (CID 60976262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).